5-chloranyl-2-iodanyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide

Systemtic Name: 5-chloranyl-2-iodanyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide Openeye Name: 5-chloro-2-iodo-N-[3-[4-(m-tolyl)piperazin-1-yl]propyl]benzamide CAS Name: 5-chloro-2-iodo-N-[3-[4-(3-methylphenyl)-1-piperazinyl]propyl]benzamide IUPAC Name: 5-chloro-2-iodo-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide Traditional Name: 5-chloro-2-iodo-N-[3-[4-(m-tolyl)piperazino]propyl]benzamide Formula: C21H25ClIN3O MolecularWeight: 497.80017

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)CCCNC(=O)C3=C(C=CC(=C3)Cl)I

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)CCCNC(=O)C3=C(C=CC(=C3)Cl)I

InChI

InChI=1S/C21H25ClIN3O/c1-16-4-2-5-18(14-16)26-12-10-25(11-13-26)9-3-8-24-21(27)19-15-17(22)6-7-20(19)23/h2,4-7,14-15H,3,8-13H2,1H3,(H,24,27)